2-(4-ethoxyphenyl)acetohydrazide

• ChemBase ID: 25808
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NN)Cc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CC(=O)NN
• InChI: InChI=1S/C10H14N2O2/c1-2-14-9-5-3-8(4-6-9)7-10(13)12-11/h3-6H,2,7,11H2,1H3,(H,12,13)
• InChIKey: MSJDXVNHEKXCOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenyl)acetohydrazide
• IUPAC Traditional name: 2-(4-ethoxyphenyl)acetohydrazide
• Synonyms: 2-(4-Ethoxyphenyl)acetohydrazide

Database IDs

• CAS Number: 61904-55-0
• MDL Number: MFCD01923622
• PubChem SID: 160989115
• PubChem CID: 840878

CALCULATED PROPERTIES

• Acid pKa: 12.683706
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.70493937
• LogD (pH = 7.4): 0.70668805
• Log P: 0.7067125
• Molar Refractivity: 54.8837 cm^3
• Polarizability: 21.003023 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false